N-[(3-chloro-4-methylphenyl)methyl]-2-[(dimethylamino)methyl]aniline

C17H21ClN2 — CID 106816557

IUPACN-[(3-chloro-4-methylphenyl)methyl]-2-[(dimethylamino)methyl]aniline
SMILESCc1ccc(CNc2ccccc2CN(C)C)cc1Cl
InChIInChI=1S/C17H21ClN2/c1-13-8-9-14(10-16(13)18)11-19-17-7-5-4-6-15(17)12-20(2)3/h4-10,19H,11-12H2,1-3H3
InChIKeyUMYXUWDKZNSYGO-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.32
Rot. Bonds5

About N-[(3-chloro-4-methylphenyl)methyl]-2-[(dimethylamino)methyl]aniline

N-[(3-chloro-4-methylphenyl)methyl]-2-[(dimethylamino)methyl]aniline (PubChem CID 106816557) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]-2-[(dimethylamino)methyl]aniline.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]-2-[(dimethylamino)methyl]aniline
PubChem CID106816557
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]-2-[(dimethylamino)methyl]aniline
SMILESCc1ccc(CNc2ccccc2CN(C)C)cc1Cl
InChIInChI=1S/C17H21ClN2/c1-13-8-9-14(10-16(13)18)11-19-17-7-5-4-6-15(17)12-20(2)3/h4-10,19H,11-12H2,1-3H3
InChIKeyUMYXUWDKZNSYGO-UHFFFAOYSA-N
XLogP4.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(dimethylamino)methyl]-N-[(3-methylphenyl)methyl]aniline
CID 43435902
N-[(3-chloro-4-methylphenyl)methyl]naphthalen-1-amine
CID 106816010
N-[(3-chloro-4-methylphenyl)methyl]-3-[(dimethylamino)methyl]aniline
CID 106816343
2-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]aniline
CID 43750090
2-[(dimethylamino)methyl]-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104749132
N-[(3-bromo-4-methoxyphenyl)methyl]-2-[(dimethylamino)methyl]aniline
CID 43792047
N-[[4-(difluoromethyl)phenyl]methyl]-2-[(dimethylamino)methyl]aniline
CID 115523780
N-[(3-chloro-4-methylphenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 106816930
2-[(dimethylamino)methyl]-N-[(4-nitrophenyl)methyl]aniline
CID 43750052
2-chloro-N-[(3-chloro-4-methylphenyl)methyl]-5-iodoaniline
CID 114258452
3-N-[(3-chloro-4-methylphenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 106816290
2-[(dimethylamino)methyl]-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936614

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-2-[(dimethylamino)methyl]aniline?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-2-[(dimethylamino)methyl]aniline (CID 106816557) is N-[(3-chloro-4-methylphenyl)methyl]-2-[(dimethylamino)methyl]aniline.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]-2-[(dimethylamino)methyl]aniline?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]-2-[(dimethylamino)methyl]aniline is Cc1ccc(CNc2ccccc2CN(C)C)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]-2-[(dimethylamino)methyl]aniline?
The InChIKey is UMYXUWDKZNSYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-13-8-9-14(10-16(13)18)11-19-17-7-5-4-6-15(17)12-20(2)3/h4-10,19H,11-12H2,1-3H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]-2-[(dimethylamino)methyl]aniline?
N-[(3-chloro-4-methylphenyl)methyl]-2-[(dimethylamino)methyl]aniline has a molecular weight of 288.82 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)methyl]-2-[(dimethylamino)methyl]aniline is sourced from PubChem (CID 106816557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).